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Home> Encyclopedia > Hot Product Listed 5   > 5,6-Quinolinedione,8-ethoxy-7-methyl-
12150-46-8 structure

5,6-Quinolinedione,8-ethoxy-7-methyl-

CAS No.:12150-46-8
Molecular Weight:546.315122
Molecular Formula:C15H24O4 (isomer)
Names and Identifiers
Synonyms

5,6-quinolinedione, 8-ethoxy-7-methyl- 5,6-quinolinedione, 8-ethoxy-7-methyl- (9ci) 5,6-Quinolinedione,8-ethoxy-7-methyl-(9CI) 8-ethoxy-7-methyl-5,6-dihydroquinoline-5,6-dione 8-ethoxy-7-methyl-quinoline-5,6-dione 8-ethoxy-7-methylquinoline-5,6-dione AC1L9PMP Aids000147 Aids-000147 DTXSID30150365 HE212986 KB-196328 ZINC6403856

Inchi
InChI=1/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/rC34H28FeP2/c1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)33-25-13-23-31(33)35-32-24-14-26-34(32)37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,31-32H
InChkey
HPXNTHKXCYMIJL-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)P([C-]2[C-]=[C-][C-]=[C-]2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2[C-]=[C-][C-]=[C-]2)C3=CC=CC=C3.[Fe]
Isomers Smiles
C1=CC=C(C=C1)P([C-]2[C-]=[C-][C-]=[C-]2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2
[C-]=[C-][C-]=[C-]2)C3=CC=CC=C3.[Fe]
Properties
Density
1.51
Melting Point
181-183℃
Boiling Point
°Cat760mmHg
Flash Point
279.4°C
HS Code
29319090
Safety and Handling
Risk Statements
R25
Safety Statements
S28;S45
HazardClass
IRRITANT
Transport
328
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:546.315122g/mol
  • Molecular Formula:C15H24O4
  • Exact Mass:546.038966
  • Monoisotopic Mass:546.038966
  • Complexity:276
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:0
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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